ethyl (2S)-2-(4-phenylanilino)propanoate

C17H19NO2 — CID 57300863

IUPACethyl (2S)-2-(4-phenylanilino)propanoate
SMILESCCOC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)13(2)18-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,18H,3H2,1-2H3/t13-/m0/s1
InChIKeyWIDFIRMRAFCCIZ-ZDUSSCGKSA-N
MW269.34 g/mol
LogP3.72
Rot. Bonds5

About ethyl (2S)-2-(4-phenylanilino)propanoate

ethyl (2S)-2-(4-phenylanilino)propanoate (PubChem CID 57300863) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl (2S)-2-(4-phenylanilino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-phenylanilino)propanoate
PubChem CID57300863
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl (2S)-2-(4-phenylanilino)propanoate
SMILESCCOC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)13(2)18-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,18H,3H2,1-2H3/t13-/m0/s1
InChIKeyWIDFIRMRAFCCIZ-ZDUSSCGKSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Methylphenyl)amino]acetic acid
CID 242236
Ethyl 2-(phenylamino)propanoate
CID 296040
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
Diethyl 2-(2-naphthylamino)malonate
CID 272832
Methyl 4-(phenylamino)-1-(2-phenylethyl)-4-piperidinecarboxylate
CID 12298146
Ethyl N-{[4-(Acetylamino)benzyl]carbamoyl}glycinate
CID 81689780
[4-[2-[2-[4-(Diaminomethyl)anilino]ethoxy]ethylamino]phenyl]methanediamine
CID 86574560
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 302677
(3-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 247832
Ethyl [(3-methylphenyl)amino]acetate
CID 302673
Methyl N-(2,6-dimethylphenyl)-DL-alaninate
CID 94555
Ethyl 4'-phenyloxanilate
CID 4102623

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-phenylanilino)propanoate?
The IUPAC name of ethyl (2S)-2-(4-phenylanilino)propanoate (CID 57300863) is ethyl (2S)-2-(4-phenylanilino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(4-phenylanilino)propanoate?
The canonical SMILES for ethyl (2S)-2-(4-phenylanilino)propanoate is CCOC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (2S)-2-(4-phenylanilino)propanoate?
The InChIKey is WIDFIRMRAFCCIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-20-17(19)13(2)18-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,18H,3H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-phenylanilino)propanoate?
ethyl (2S)-2-(4-phenylanilino)propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-phenylanilino)propanoate is sourced from PubChem (CID 57300863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).